N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine

C7H9N7 — CID 123645480

IUPACN-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(-n2cnnn2)cn1
InChIInChI=1S/C7H9N7/c1-8-2-6-3-10-7(4-9-6)14-5-11-12-13-14/h3-5,8H,2H2,1H3
InChIKeyZJHBOTPNEGNNHO-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.83
Rot. Bonds3

About N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine

N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine (PubChem CID 123645480) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine
PubChem CID123645480
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cnc(-n2cnnn2)cn1
InChIInChI=1S/C7H9N7/c1-8-2-6-3-10-7(4-9-6)14-5-11-12-13-14/h3-5,8H,2H2,1H3
InChIKeyZJHBOTPNEGNNHO-UHFFFAOYSA-N
XLogP-0.83
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,2,4-Triazol-1-yl)pyrazine-2-carbothioamide
CID 3000616
N-Hydroxy-6-[1,2,4]triazol-1-yl-pyrazine-2-carboxamidine
CID 135508900
2-methyl-3-(1H-1,2,4-triazol-1-yl)pyrazine
CID 83066557
3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine
CID 91662130
6,8-dimethyl(115N)tetrazolo[1,5-a](115N)pyrazine
CID 134890740
[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]methanamine
CID 82393548
6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
CID 131140757
1-{[1,2,4]Triazolo[4,3-a]pyrazin-6-yl}methanamine
CID 155978258
2-Fluoro-n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]pyrimidin-4-amine
CID 164645351
6-Fluoro-n-[(2-methyl-2h-1,2,3-triazol-4-yl)methyl]pyrazin-2-amine
CID 164646879
3-Fluoro-n-[(1-methyl-1h-imidazol-5-yl)methyl]pyrazin-2-amine
CID 164648165
3-Fluoro-n-[(1-methyl-1h-1,2,3-triazol-5-yl)methyl]pyrazin-2-amine
CID 164648188

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine (CID 123645480) is N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine is CNCc1cnc(-n2cnnn2)cn1.
What is the InChIKey of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is ZJHBOTPNEGNNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c1-8-2-6-3-10-7(4-9-6)14-5-11-12-13-14/h3-5,8H,2H2,1H3.
What are the key properties of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine?
N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 191.20 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 123645480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).