N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide

C11H15N7O2 — CID 156721570

IUPACN-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCON(C)c1nc([C@H](C)NC=O)n(-c2ncccn2)n1
InChIInChI=1S/C11H15N7O2/c1-8(14-7-19)9-15-11(17(2)20-3)16-18(9)10-12-5-4-6-13-10/h4-8H,1-3H3,(H,14,19)/t8-/m0/s1
InChIKeyWZCORPRXLKLCPQ-QMMMGPOBSA-N
MW277.29 g/mol
LogP-0.14
Rot. Bonds6

About N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide

N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide (PubChem CID 156721570) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide
PubChem CID156721570
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide
SMILESCON(C)c1nc([C@H](C)NC=O)n(-c2ncccn2)n1
InChIInChI=1S/C11H15N7O2/c1-8(14-7-19)9-15-11(17(2)20-3)16-18(9)10-12-5-4-6-13-10/h4-8H,1-3H3,(H,14,19)/t8-/m0/s1
InChIKeyWZCORPRXLKLCPQ-QMMMGPOBSA-N
XLogP-0.14
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]formamide
CID 40637873
5-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]-N-(dimethylaminomethylidene)-1-pyrimidin-2-yl-1,2,4-triazole-3-carboxamide
CID 162507073
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
1-(5-chloro-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 155586669
1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 174214461
N-[1-[2-(4-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]formamide
CID 166878526
5-(1-bromoethyl)-1-pyrimidin-2-yl-1,2,4-triazole-3-carbonitrile
CID 166567908
N-(1-imidazo[5,1-b][1,3]thiazol-5-ylethyl)formamide
CID 19605208
N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
CID 166878613
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
1-(5-chloro-2,4-dimethoxyphenyl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 174222135
N-(1-naphthalen-2-ylethyl)formamide
CID 18543124

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide?
The IUPAC name of N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide (CID 156721570) is N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide?
The canonical SMILES for N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide is CON(C)c1nc([C@H](C)NC=O)n(-c2ncccn2)n1.
What is the InChIKey of N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide?
The InChIKey is WZCORPRXLKLCPQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-8(14-7-19)9-15-11(17(2)20-3)16-18(9)10-12-5-4-6-13-10/h4-8H,1-3H3,(H,14,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide?
N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide has a molecular weight of 277.29 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-[methoxy(methyl)amino]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]ethyl]formamide is sourced from PubChem (CID 156721570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).