1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea

C11H15N7O — CID 174468123

IUPAC1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea
SMILESNC(=O)N(CCCCc1nn[nH]n1)c1ccncc1
InChIInChI=1S/C11H15N7O/c12-11(19)18(9-4-6-13-7-5-9)8-2-1-3-10-14-16-17-15-10/h4-7H,1-3,8H2,(H2,12,19)(H,14,15,16,17)
InChIKeyWETXMFVCVZFGEB-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.50
Rot. Bonds6

About 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea

1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea (PubChem CID 174468123) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea.

Molecular Properties

Compound Name1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea
PubChem CID174468123
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea
SMILESNC(=O)N(CCCCc1nn[nH]n1)c1ccncc1
InChIInChI=1S/C11H15N7O/c12-11(19)18(9-4-6-13-7-5-9)8-2-1-3-10-14-16-17-15-10/h4-7H,1-3,8H2,(H2,12,19)(H,14,15,16,17)
InChIKeyWETXMFVCVZFGEB-UHFFFAOYSA-N
XLogP0.50
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.50
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

5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
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acetylene;4-methylpyridine;propane;3-(2H-tetrazol-5-yl)propanoic acid
CID 144957779
1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
CID 167706452
N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide
CID 106936756
5-(3-fluoropropyl)-2H-tetrazole
CID 81109495
3,4-dimethyl-N-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)ethyl]furan-2-carboxamide
CID 166313814
5-pentyl-2H-tetrazole
CID 139080284
N,N-bis[2-(2H-tetrazol-5-yl)ethyl]aniline
CID 21330973
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
4-[amino-[3-(2H-tetrazol-5-yl)propyl]amino]-1,2-dihydrotriazole-5-thione
CID 118248146

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea?
The IUPAC name of 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea (CID 174468123) is 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea.
What is the SMILES notation for 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea?
The canonical SMILES for 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea is NC(=O)N(CCCCc1nn[nH]n1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea?
The InChIKey is WETXMFVCVZFGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-11(19)18(9-4-6-13-7-5-9)8-2-1-3-10-14-16-17-15-10/h4-7H,1-3,8H2,(H2,12,19)(H,14,15,16,17).
What are the key properties of 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea?
1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea has a molecular weight of 261.29 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-1-[4-(2H-tetrazol-5-yl)butyl]urea is sourced from PubChem (CID 174468123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).