(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine

C6H9N7 — CID 61149466

IUPAC(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine
SMILESCn1cc(C(N)c2nn[nH]n2)cn1
InChIInChI=1S/C6H9N7/c1-13-3-4(2-8-13)5(7)6-9-11-12-10-6/h2-3,5H,7H2,1H3,(H,9,10,11,12)
InChIKeyDBKARMVGBSPYHD-UHFFFAOYSA-N
MW179.19 g/mol
LogP-1.02
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine

(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine (PubChem CID 61149466) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine
PubChem CID61149466
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine
SMILESCn1cc(C(N)c2nn[nH]n2)cn1
InChIInChI=1S/C6H9N7/c1-13-3-4(2-8-13)5(7)6-9-11-12-10-6/h2-3,5H,7H2,1H3,(H,9,10,11,12)
InChIKeyDBKARMVGBSPYHD-UHFFFAOYSA-N
XLogP-1.02
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824
1-[[2-amino-1-(1-methylpyrazol-4-yl)propyl]-methylamino]propan-2-ol
CID 62333639
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine
CID 115289456
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine (CID 61149466) is (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine is Cn1cc(C(N)c2nn[nH]n2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine?
The InChIKey is DBKARMVGBSPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-13-3-4(2-8-13)5(7)6-9-11-12-10-6/h2-3,5H,7H2,1H3,(H,9,10,11,12).
What are the key properties of (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine?
(1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine has a molecular weight of 179.19 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 61149466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).