1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea

C13H17N7O — CID 138054517

IUPAC1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
SMILESCn1nnc(NC(=O)NCC2(c3ccccn3)CCC2)n1
InChIInChI=1S/C13H17N7O/c1-20-18-11(17-19-20)16-12(21)15-9-13(6-4-7-13)10-5-2-3-8-14-10/h2-3,5,8H,4,6-7,9H2,1H3,(H2,15,16,18,21)
InChIKeyFCVAMGZGWRAFKF-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.85
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea

1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea (PubChem CID 138054517) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
PubChem CID138054517
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
SMILESCn1nnc(NC(=O)NCC2(c3ccccn3)CCC2)n1
InChIInChI=1S/C13H17N7O/c1-20-18-11(17-19-20)16-12(21)15-9-13(6-4-7-13)10-5-2-3-8-14-10/h2-3,5,8H,4,6-7,9H2,1H3,(H2,15,16,18,21)
InChIKeyFCVAMGZGWRAFKF-UHFFFAOYSA-N
XLogP0.85
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 138026038
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 154741750
2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166250068
1-(2-methyltetrazol-5-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 167966617
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 154836948
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea (CID 138054517) is 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea is Cn1nnc(NC(=O)NCC2(c3ccccn3)CCC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
The InChIKey is FCVAMGZGWRAFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-20-18-11(17-19-20)16-12(21)15-9-13(6-4-7-13)10-5-2-3-8-14-10/h2-3,5,8H,4,6-7,9H2,1H3,(H2,15,16,18,21).
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea has a molecular weight of 287.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea is sourced from PubChem (CID 138054517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).