N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine

C5H12N5+ — CID 163704264

IUPACN-methyl-N-propyl-2H-tetrazol-1-ium-5-amine
SMILESCCCN(C)c1nn[nH][nH+]1
InChIInChI=1S/C5H11N5/c1-3-4-10(2)5-6-8-9-7-5/h3-4H2,1-2H3,(H,6,7,8,9)/p+1
InChIKeyKDQXVHSUEQBNEE-UHFFFAOYSA-O
MW142.19 g/mol
LogP-0.54
Rot. Bonds3

About N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine

N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine (PubChem CID 163704264) has the molecular formula C5H12N5+ and a molecular weight of 142.19 g/mol. Its IUPAC name is N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine.

Molecular Properties

Compound NameN-methyl-N-propyl-2H-tetrazol-1-ium-5-amine
PubChem CID163704264
Molecular FormulaC5H12N5+
Molecular Weight142.19 g/mol
Exact Mass142.11
IUPAC NameN-methyl-N-propyl-2H-tetrazol-1-ium-5-amine
SMILESCCCN(C)c1nn[nH][nH+]1
InChIInChI=1S/C5H11N5/c1-3-4-10(2)5-6-8-9-7-5/h3-4H2,1-2H3,(H,6,7,8,9)/p+1
InChIKeyKDQXVHSUEQBNEE-UHFFFAOYSA-O
XLogP-0.54
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propylpyrimidin-2-amine
CID 67810585
4-fluoro-N-methyl-N-propylaniline
CID 23197529
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
N-methyl-N-propylcyclopropen-1-amine
CID 148942745
2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233
N,2-dimethyl-N-propylaniline
CID 69435269
3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 131175805
3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol
CID 123141190
3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine
CID 114998180
2-fluoro-N-methyl-N-propylaniline
CID 67818828
[2-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255175
3-N-methyl-3-N-propylquinoxaline-2,3-diamine
CID 102985418

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine?
The IUPAC name of N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine (CID 163704264) is N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine.
What is the SMILES notation for N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine?
The canonical SMILES for N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine is CCCN(C)c1nn[nH][nH+]1.
What is the InChIKey of N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine?
The InChIKey is KDQXVHSUEQBNEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N5/c1-3-4-10(2)5-6-8-9-7-5/h3-4H2,1-2H3,(H,6,7,8,9)/p+1.
What are the key properties of N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine?
N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine has a molecular weight of 142.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2H-tetrazol-1-ium-5-amine is sourced from PubChem (CID 163704264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).