1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

C17H23N7O — CID 56817264

IUPAC1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESO=C(CCNc1ncccn1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C17H23N7O/c25-15(4-9-20-17-18-7-2-8-19-17)23-11-5-13(6-12-23)16-22-21-14-3-1-10-24(14)16/h2,7-8,13H,1,3-6,9-12H2,(H,18,19,20)
InChIKeyZVOIRFQKXOZJKG-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.22
Rot. Bonds5

About 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (PubChem CID 56817264) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
PubChem CID56817264
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESO=C(CCNc1ncccn1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C17H23N7O/c25-15(4-9-20-17-18-7-2-8-19-17)23-11-5-13(6-12-23)16-22-21-14-3-1-10-24(14)16/h2,7-8,13H,1,3-6,9-12H2,(H,18,19,20)
InChIKeyZVOIRFQKXOZJKG-UHFFFAOYSA-N
XLogP1.22
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one with MolForge

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Related Compounds

1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 75479285
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 51097129
1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94036422
N-[2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 75479749
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 75479286
N-(2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 119060560
2-(4-ethoxyphenyl)-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 92593633
4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
CID 47246051
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 91942549
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 56817989
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 75479278
1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone
CID 49195447

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The IUPAC name of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (CID 56817264) is 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is O=C(CCNc1ncccn1)N1CCC(c2nnc3n2CCC3)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The InChIKey is ZVOIRFQKXOZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c25-15(4-9-20-17-18-7-2-8-19-17)23-11-5-13(6-12-23)16-22-21-14-3-1-10-24(14)16/h2,7-8,13H,1,3-6,9-12H2,(H,18,19,20).
What are the key properties of 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one has a molecular weight of 341.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is sourced from PubChem (CID 56817264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).