3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide

C12H19N5O2 — CID 64892356

IUPAC3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H19N5O2/c1-16(11(18)12(13)4-6-19-8-12)7-10-15-14-9-3-2-5-17(9)10/h2-8,13H2,1H3
InChIKeyKVRDRKKPEMSQMK-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.70
Rot. Bonds3

About 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide

3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide (PubChem CID 64892356) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide
PubChem CID64892356
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H19N5O2/c1-16(11(18)12(13)4-6-19-8-12)7-10-15-14-9-3-2-5-17(9)10/h2-8,13H2,1H3
InChIKeyKVRDRKKPEMSQMK-UHFFFAOYSA-N
XLogP-0.70
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylbutanamide
CID 54872773
3-amino-4-[6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl(methyl)amino]-4-oxobutanoic acid
CID 64894944
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980151
2-(aminomethyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylpentanamide
CID 65227100
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-2-(methylamino)propanamide
CID 55096807
(2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide
CID 61163593
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpentanamide
CID 79204891
3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-2-thiophen-2-ylacetamide
CID 51079876
3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 64525034
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylurea
CID 95271452
3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,4-dimethylbenzamide
CID 60963938

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide (CID 64892356) is 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide is CN(Cc1nnc2n1CCC2)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide?
The InChIKey is KVRDRKKPEMSQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16(11(18)12(13)4-6-19-8-12)7-10-15-14-9-3-2-5-17(9)10/h2-8,13H2,1H3.
What are the key properties of 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide?
3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).