[1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine

C6H8ClN7 — CID 164658761

IUPAC[1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine
SMILESCn1ncc(-n2nnnc2CN)c1Cl
InChIInChI=1S/C6H8ClN7/c1-13-6(7)4(3-9-13)14-5(2-8)10-11-12-14/h3H,2,8H2,1H3
InChIKeyPFZDTLBYRYSKDD-UHFFFAOYSA-N
MW213.63 g/mol
LogP-0.49
Rot. Bonds2

About [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine

[1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine (PubChem CID 164658761) has the molecular formula C6H8ClN7 and a molecular weight of 213.63 g/mol. Its IUPAC name is [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine
PubChem CID164658761
Molecular FormulaC6H8ClN7
Molecular Weight213.63 g/mol
Exact Mass213.05
IUPAC Name[1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine
SMILESCn1ncc(-n2nnnc2CN)c1Cl
InChIInChI=1S/C6H8ClN7/c1-13-6(7)4(3-9-13)14-5(2-8)10-11-12-14/h3H,2,8H2,1H3
InChIKeyPFZDTLBYRYSKDD-UHFFFAOYSA-N
XLogP-0.49
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.63
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Chloro-5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazole
CID 63384961
3-Chloro-1-[2-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-amine
CID 117875268
3-Chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-amine
CID 117875942
3-Chloro-1-[2-methyl-1-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-amine
CID 163981543
5-(Chloromethyl)-1-(1-methylpyrazol-4-yl)tetrazole
CID 79779123
2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-1-amine
CID 79785785
[1-(1-Methylpyrazol-4-yl)tetrazol-5-yl]methanamine
CID 79785786
2-methyl-N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 79785864
N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79785865
[1-(1-Methylpyrazol-3-yl)tetrazol-5-yl]methanamine
CID 79786190
N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]ethanamine
CID 79786958
N-[[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 79786959

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine (CID 164658761) is [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine is Cn1ncc(-n2nnnc2CN)c1Cl.
What is the InChIKey of [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
The InChIKey is PFZDTLBYRYSKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN7/c1-13-6(7)4(3-9-13)14-5(2-8)10-11-12-14/h3H,2,8H2,1H3.
What are the key properties of [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
[1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine has a molecular weight of 213.63 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 164658761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).