1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

C16H27N5O2 — CID 71972053

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCc1nc2n(n1)CCCC2NC(=O)NCCCOCC1CC1
InChIInChI=1S/C16H27N5O2/c1-2-14-19-15-13(5-3-9-21(15)20-14)18-16(22)17-8-4-10-23-11-12-6-7-12/h12-13H,2-11H2,1H3,(H2,17,18,22)
InChIKeyICSPGUZLFXZZII-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.79
Rot. Bonds8

About 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 71972053) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID71972053
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCc1nc2n(n1)CCCC2NC(=O)NCCCOCC1CC1
InChIInChI=1S/C16H27N5O2/c1-2-14-19-15-13(5-3-9-21(15)20-14)18-16(22)17-8-4-10-23-11-12-6-7-12/h12-13H,2-11H2,1H3,(H2,17,18,22)
InChIKeyICSPGUZLFXZZII-UHFFFAOYSA-N
XLogP1.79
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(5-Cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
CID 138674661
2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 72140630
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75516194
1-[2-(cyclopropylmethoxy)ethyl]-1-methyl-3-[(8S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]urea
CID 97055232
2-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylmorpholine-4-carboxamide
CID 121516622
1-[2-(2,2-Difluoroethoxy)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86818782
1-[2-(2,2-difluoroethoxy)ethyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99834017
1-[2-(2,2-difluoroethoxy)ethyl]-3-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99834018
1-[3-(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(oxan-4-yl)urea
CID 135368467
1-[3-(5-Cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyloxan-4-yl)urea
CID 135368632
1-[3-(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyloxan-4-yl)urea
CID 138674663
N-[3-(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)propyl]-2-(oxan-4-ylamino)acetamide
CID 155322328

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 71972053) is 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is CCc1nc2n(n1)CCCC2NC(=O)NCCCOCC1CC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is ICSPGUZLFXZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-2-14-19-15-13(5-3-9-21(15)20-14)18-16(22)17-8-4-10-23-11-12-6-7-12/h12-13H,2-11H2,1H3,(H2,17,18,22).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 321.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 71972053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).