N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide

C14H22N6O2 — CID 134797298

IUPACN-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nnc2n1C(C(=O)N1CCN(C)CC1)CC2
InChIInChI=1S/C14H22N6O2/c1-10(21)15-9-13-17-16-12-4-3-11(20(12)13)14(22)19-7-5-18(2)6-8-19/h11H,3-9H2,1-2H3,(H,15,21)
InChIKeyUAIWJFMVQIZMQP-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.82
Rot. Bonds3

About N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide

N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide (PubChem CID 134797298) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
PubChem CID134797298
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC NameN-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nnc2n1C(C(=O)N1CCN(C)CC1)CC2
InChIInChI=1S/C14H22N6O2/c1-10(21)15-9-13-17-16-12-4-3-11(20(12)13)14(22)19-7-5-18(2)6-8-19/h11H,3-9H2,1-2H3,(H,15,21)
InChIKeyUAIWJFMVQIZMQP-UHFFFAOYSA-N
XLogP-0.82
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide (CID 134797298) is N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide is CC(=O)NCc1nnc2n1C(C(=O)N1CCN(C)CC1)CC2.
What is the InChIKey of N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
The InChIKey is UAIWJFMVQIZMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-10(21)15-9-13-17-16-12-4-3-11(20(12)13)14(22)19-7-5-18(2)6-8-19/h11H,3-9H2,1-2H3,(H,15,21).
What are the key properties of N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 134797298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).