3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea

C13H24N6O — CID 124730383

IUPAC3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)N[C@@H](C)c1nnnn1C1CC1
InChIInChI=1S/C13H24N6O/c1-4-8-18(9-5-2)13(20)14-10(3)12-15-16-17-19(12)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,14,20)/t10-/m0/s1
InChIKeyHMDLSMDOKNDULC-JTQLQIEISA-N
MW280.38 g/mol
LogP1.90
Rot. Bonds7

About 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea

3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea (PubChem CID 124730383) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea
PubChem CID124730383
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)N[C@@H](C)c1nnnn1C1CC1
InChIInChI=1S/C13H24N6O/c1-4-8-18(9-5-2)13(20)14-10(3)12-15-16-17-19(12)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,14,20)/t10-/m0/s1
InChIKeyHMDLSMDOKNDULC-JTQLQIEISA-N
XLogP1.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide
CID 86807912
N-[3-[[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]amino]-3-oxopropyl]-3-methylbutanamide
CID 124730810
N-[1-[1-(4-propylcyclohexyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085850
2-methyl-N-[1-[1-(1-oxothian-4-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086907
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 124841571
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-[(1R)-1-(2,3-difluorophenyl)ethyl]urea
CID 99828922
5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 124726467
N-ethyl-1-[1-(oxan-4-yl)tetrazol-5-yl]ethanamine
CID 103085524
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-(1-cyclohexyltetrazol-5-yl)butan-1-ol
CID 121220708
N-[1-[1-(3-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086859
N-[1-[1-(3-methylsulfanylcyclopentyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114122719

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea?
The IUPAC name of 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea (CID 124730383) is 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea?
The canonical SMILES for 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea is CCCN(CCC)C(=O)N[C@@H](C)c1nnnn1C1CC1.
What is the InChIKey of 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea?
The InChIKey is HMDLSMDOKNDULC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-8-18(9-5-2)13(20)14-10(3)12-15-16-17-19(12)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,14,20)/t10-/m0/s1.
What are the key properties of 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea?
3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea has a molecular weight of 280.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-1,1-dipropylurea is sourced from PubChem (CID 124730383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).