trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide

C12H19N5O — CID 166312498

IUPACtrans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C[C@H]1C(=O)NC(c1nn[nH]n1)C1CC1
InChIInChI=1S/C12H19N5O/c1-6(2)8-5-9(8)12(18)13-10(7-3-4-7)11-14-16-17-15-11/h6-10H,3-5H2,1-2H3,(H,13,18)(H,14,15,16,17)/t8-,9+,10?/m0/s1
InChIKeyFMIWUHOGABEQIP-QIIDTADFSA-N
MW249.32 g/mol
LogP1.06
Rot. Bonds5

About trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide

trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 166312498) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID166312498
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Nametrans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C[C@H]1C(=O)NC(c1nn[nH]n1)C1CC1
InChIInChI=1S/C12H19N5O/c1-6(2)8-5-9(8)12(18)13-10(7-3-4-7)11-14-16-17-15-11/h6-10H,3-5H2,1-2H3,(H,13,18)(H,14,15,16,17)/t8-,9+,10?/m0/s1
InChIKeyFMIWUHOGABEQIP-QIIDTADFSA-N
XLogP1.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide (CID 166312498) is trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide is CC(C)[C@@H]1C[C@H]1C(=O)NC(c1nn[nH]n1)C1CC1.
What is the InChIKey of trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is FMIWUHOGABEQIP-QIIDTADFSA-N. The full InChI is InChI=1S/C12H19N5O/c1-6(2)8-5-9(8)12(18)13-10(7-3-4-7)11-14-16-17-15-11/h6-10H,3-5H2,1-2H3,(H,13,18)(H,14,15,16,17)/t8-,9+,10?/m0/s1.
What are the key properties of trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide?
trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 166312498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).