1-(1H-1,2,4-triazol-5-yl)pentylurea

C8H15N5O — CID 175608881

IUPAC1-(1H-1,2,4-triazol-5-yl)pentylurea
SMILESCCCCC(NC(N)=O)c1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-2-3-4-6(12-8(9)14)7-10-5-11-13-7/h5-6H,2-4H2,1H3,(H3,9,12,14)(H,10,11,13)
InChIKeyUHEIKWNSCUGVCN-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.70
Rot. Bonds5

About 1-(1H-1,2,4-triazol-5-yl)pentylurea

1-(1H-1,2,4-triazol-5-yl)pentylurea (PubChem CID 175608881) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)pentylurea.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)pentylurea
PubChem CID175608881
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-(1H-1,2,4-triazol-5-yl)pentylurea
SMILESCCCCC(NC(N)=O)c1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-2-3-4-6(12-8(9)14)7-10-5-11-13-7/h5-6H,2-4H2,1H3,(H3,9,12,14)(H,10,11,13)
InChIKeyUHEIKWNSCUGVCN-UHFFFAOYSA-N
XLogP0.70
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
2-(1H-1,2,4-triazol-5-yl)hexanoic acid
CID 142767992
N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
CID 65360398
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 65362645
6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
CID 106281715

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)pentylurea?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)pentylurea (CID 175608881) is 1-(1H-1,2,4-triazol-5-yl)pentylurea.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)pentylurea?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)pentylurea is CCCCC(NC(N)=O)c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)pentylurea?
The InChIKey is UHEIKWNSCUGVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-3-4-6(12-8(9)14)7-10-5-11-13-7/h5-6H,2-4H2,1H3,(H3,9,12,14)(H,10,11,13).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)pentylurea?
1-(1H-1,2,4-triazol-5-yl)pentylurea has a molecular weight of 197.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)pentylurea is sourced from PubChem (CID 175608881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).