N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine

C3H5N9 — CID 91335410

IUPACN-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
SMILESCN(c1nn[nH]n1)c1nn[nH]n1
InChIInChI=1S/C3H5N9/c1-12(2-4-8-9-5-2)3-6-10-11-7-3/h1H3,(H,4,5,8,9)(H,6,7,10,11)
InChIKeyXYTXHQQJRHQSFC-UHFFFAOYSA-N
MW167.14 g/mol
LogP-1.52
Rot. Bonds2

About N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine

N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine (PubChem CID 91335410) has the molecular formula C3H5N9 and a molecular weight of 167.14 g/mol. Its IUPAC name is N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
PubChem CID91335410
Molecular FormulaC3H5N9
Molecular Weight167.14 g/mol
Exact Mass167.07
IUPAC NameN-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
SMILESCN(c1nn[nH]n1)c1nn[nH]n1
InChIInChI=1S/C3H5N9/c1-12(2-4-8-9-5-2)3-6-10-11-7-3/h1H3,(H,4,5,8,9)(H,6,7,10,11)
InChIKeyXYTXHQQJRHQSFC-UHFFFAOYSA-N
XLogP-1.52
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(propan-2-ylideneamino)-2H-tetrazol-5-amine
CID 90031759
1-propan-2-yl-1-(2H-tetrazol-5-yl)hydrazine
CID 72950950
N-ethenyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
CID 68503393
N-methyl-N-(3-nitrophenyl)-2H-tetrazol-5-amine
CID 10822772
CID 174337879
CID 174337879
N,N-dimethyl-1-(2H-tetrazol-5-yl)methanamine
CID 14787295
2-[amino(2H-tetrazol-5-yl)amino]ethanol;barium(2+);hydride
CID 174721817
N-methyl-N-(3-oxabicyclo[3.1.0]hexan-1-ylmethyl)-2H-tetrazol-5-amine
CID 164651634
N-methyl-4-phenyl-6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)quinolin-2-amine
CID 166667057
N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
CID 90078494
N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine
CID 141001774
methanamine;5-methyl-2H-tetrazole
CID 162293320

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine?
The IUPAC name of N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine (CID 91335410) is N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine?
The canonical SMILES for N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine is CN(c1nn[nH]n1)c1nn[nH]n1.
What is the InChIKey of N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine?
The InChIKey is XYTXHQQJRHQSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N9/c1-12(2-4-8-9-5-2)3-6-10-11-7-3/h1H3,(H,4,5,8,9)(H,6,7,10,11).
What are the key properties of N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine?
N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine has a molecular weight of 167.14 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine is sourced from PubChem (CID 91335410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).