1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea

C7H12N6O — CID 62700432

IUPAC1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1)c1nn[nH]n1
InChIInChI=1S/C7H12N6O/c1-4(6-10-12-13-11-6)8-7(14)9-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9,14)(H,10,11,12,13)
InChIKeyJWFGHPCQIAMCNQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.28
Rot. Bonds3

About 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea

1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea (PubChem CID 62700432) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
PubChem CID62700432
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1)c1nn[nH]n1
InChIInChI=1S/C7H12N6O/c1-4(6-10-12-13-11-6)8-7(14)9-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9,14)(H,10,11,12,13)
InChIKeyJWFGHPCQIAMCNQ-UHFFFAOYSA-N
XLogP-0.28
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
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CID 64612043
3-amino-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 66009632
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
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CID 63717941
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
1-cyclopropyl-3-[1-(1,2,4-oxadiazol-3-yl)ethyl]urea
CID 130941339
N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide
CID 79155725
4-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]cycloheptan-1-amine
CID 65079885
2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 107839418
2-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79382802
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea (CID 62700432) is 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea is CC(NC(=O)NC1CC1)c1nn[nH]n1.
What is the InChIKey of 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea?
The InChIKey is JWFGHPCQIAMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c1-4(6-10-12-13-11-6)8-7(14)9-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9,14)(H,10,11,12,13).
What are the key properties of 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea?
1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea has a molecular weight of 196.21 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 62700432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).