1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea

C12H16N6O2 — CID 97443703

IUPAC1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)cn1
InChIInChI=1S/C12H16N6O2/c1-7(11-15-8(2)17-18-11)14-12(19)16-9-4-5-10(20-3)13-6-9/h4-7H,1-3H3,(H2,14,16,19)(H,15,17,18)/t7-/m0/s1
InChIKeyDHYKZNDPFKXQFJ-ZETCQYMHSA-N
MW276.30 g/mol
LogP1.40
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea

1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 97443703) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID97443703
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)cn1
InChIInChI=1S/C12H16N6O2/c1-7(11-15-8(2)17-18-11)14-12(19)16-9-4-5-10(20-3)13-6-9/h4-7H,1-3H3,(H2,14,16,19)(H,15,17,18)/t7-/m0/s1
InChIKeyDHYKZNDPFKXQFJ-ZETCQYMHSA-N
XLogP1.40
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
N-[4-methoxy-3-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethylcarbamoylamino]phenyl]acetamide
CID 72848123
N-[4-methoxy-3-[[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]acetamide
CID 97270113
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea
CID 56556789
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285096

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea (CID 97443703) is 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea is COc1ccc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is DHYKZNDPFKXQFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7(11-15-8(2)17-18-11)14-12(19)16-9-4-5-10(20-3)13-6-9/h4-7H,1-3H3,(H2,14,16,19)(H,15,17,18)/t7-/m0/s1.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea?
1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 276.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 97443703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).