N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C13H22N6 — CID 131941408

IUPACN-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCCn1cc(CN(C)Cc2nncn2C)c(C)n1
InChIInChI=1S/C13H22N6/c1-5-6-19-8-12(11(2)16-19)7-17(3)9-13-15-14-10-18(13)4/h8,10H,5-7,9H2,1-4H3
InChIKeyQCNHUBCBHZJVKV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.36
Rot. Bonds6

About N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 131941408) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID131941408
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCCn1cc(CN(C)Cc2nncn2C)c(C)n1
InChIInChI=1S/C13H22N6/c1-5-6-19-8-12(11(2)16-19)7-17(3)9-13-15-14-10-18(13)4/h8,10H,5-7,9H2,1-4H3
InChIKeyQCNHUBCBHZJVKV-UHFFFAOYSA-N
XLogP1.36
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 131941408) is N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CCCn1cc(CN(C)Cc2nncn2C)c(C)n1.
What is the InChIKey of N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is QCNHUBCBHZJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-6-19-8-12(11(2)16-19)7-17(3)9-13-15-14-10-18(13)4/h8,10H,5-7,9H2,1-4H3.
What are the key properties of N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-propylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 131941408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).