1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea

C14H18N6O — CID 71895109

IUPAC1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCc1nnc2n1CCC2)c1ccccn1
InChIInChI=1S/C14H18N6O/c1-10(11-5-2-3-7-15-11)17-14(21)16-9-13-19-18-12-6-4-8-20(12)13/h2-3,5,7,10H,4,6,8-9H2,1H3,(H2,16,17,21)
InChIKeyBVQNVQVCIOEYPT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.18
Rot. Bonds4

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea (PubChem CID 71895109) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea
PubChem CID71895109
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCc1nnc2n1CCC2)c1ccccn1
InChIInChI=1S/C14H18N6O/c1-10(11-5-2-3-7-15-11)17-14(21)16-9-13-19-18-12-6-4-8-20(12)13/h2-3,5,7,10H,4,6,8-9H2,1H3,(H2,16,17,21)
InChIKeyBVQNVQVCIOEYPT-UHFFFAOYSA-N
XLogP1.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-3-(1-thiophen-2-ylethyl)urea
CID 51077775
1-(2-methyl-1-thiophen-2-ylpropyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083706
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(4-methylphenyl)urea
CID 17469528
1-(1-benzofuran-2-ylmethyl)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 71941289
1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36967089
N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 95155743
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CID 94055420
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
1-(2-hydroxy-3-phenylpropyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 110937101
4-[[[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122000917

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea (CID 71895109) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea is CC(NC(=O)NCc1nnc2n1CCC2)c1ccccn1.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is BVQNVQVCIOEYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10(11-5-2-3-7-15-11)17-14(21)16-9-13-19-18-12-6-4-8-20(12)13/h2-3,5,7,10H,4,6,8-9H2,1H3,(H2,16,17,21).
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea?
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 286.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 71895109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).