2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C11H15N7O — CID 64530410

IUPAC2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ncn[nH]1)c1ncccn1
InChIInChI=1S/C11H15N7O/c1-18(11-13-4-2-5-14-11)7-10(19)12-6-3-9-15-8-16-17-9/h2,4-5,8H,3,6-7H2,1H3,(H,12,19)(H,15,16,17)
InChIKeyQRSIUTLUBTXOBG-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.61
Rot. Bonds6

About 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64530410) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64530410
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ncn[nH]1)c1ncccn1
InChIInChI=1S/C11H15N7O/c1-18(11-13-4-2-5-14-11)7-10(19)12-6-3-9-15-8-16-17-9/h2,4-5,8H,3,6-7H2,1H3,(H,12,19)(H,15,16,17)
InChIKeyQRSIUTLUBTXOBG-UHFFFAOYSA-N
XLogP-0.61
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 43500389
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64531805
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64530410) is 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CN(CC(=O)NCCc1ncn[nH]1)c1ncccn1.
What is the InChIKey of 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is QRSIUTLUBTXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-18(11-13-4-2-5-14-11)7-10(19)12-6-3-9-15-8-16-17-9/h2,4-5,8H,3,6-7H2,1H3,(H,12,19)(H,15,16,17).
What are the key properties of 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 261.29 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64530410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).