N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide

C9H16N6O — CID 107042658

IUPACN-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
SMILESCC(NCc1nnn(C)n1)C(=O)NC1CC1
InChIInChI=1S/C9H16N6O/c1-6(9(16)11-7-3-4-7)10-5-8-12-14-15(2)13-8/h6-7,10H,3-5H2,1-2H3,(H,11,16)
InChIKeyICXPPGFRULQBJR-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.03
Rot. Bonds5

About N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide

N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide (PubChem CID 107042658) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
PubChem CID107042658
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC NameN-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
SMILESCC(NCc1nnn(C)n1)C(=O)NC1CC1
InChIInChI=1S/C9H16N6O/c1-6(9(16)11-7-3-4-7)10-5-8-12-14-15(2)13-8/h6-7,10H,3-5H2,1-2H3,(H,11,16)
InChIKeyICXPPGFRULQBJR-UHFFFAOYSA-N
XLogP-1.03
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 107042657
2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
CID 107044903
methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate
CID 107042301
2-(but-2-ynylamino)-N-cyclopropylpropanamide
CID 115865749
1-cyclopentyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044752
4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide
CID 112700004
(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 95140170
(2R)-N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 95138761
N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048630
N-cyclopropyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]methylamino]propanamide
CID 136868884
2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
CID 104797136

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide (CID 107042658) is N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide is CC(NCc1nnn(C)n1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The InChIKey is ICXPPGFRULQBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-6(9(16)11-7-3-4-7)10-5-8-12-14-15(2)13-8/h6-7,10H,3-5H2,1-2H3,(H,11,16).
What are the key properties of N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide?
N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide has a molecular weight of 224.27 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide is sourced from PubChem (CID 107042658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).