N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C10H16N6 — CID 43703305

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1[nH]ncc1CNC(C)c1nncn1C
InChIInChI=1S/C10H16N6/c1-7-9(5-12-14-7)4-11-8(2)10-15-13-6-16(10)3/h5-6,8,11H,4H2,1-3H3,(H,12,14)
InChIKeyKXDBBUWACUMADH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.70
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 43703305) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID43703305
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1[nH]ncc1CNC(C)c1nncn1C
InChIInChI=1S/C10H16N6/c1-7-9(5-12-14-7)4-11-8(2)10-15-13-6-16(10)3/h5-6,8,11H,4H2,1-3H3,(H,12,14)
InChIKeyKXDBBUWACUMADH-UHFFFAOYSA-N
XLogP0.70
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 43703305) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is Cc1[nH]ncc1CNC(C)c1nncn1C.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is KXDBBUWACUMADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7-9(5-12-14-7)4-11-8(2)10-15-13-6-16(10)3/h5-6,8,11H,4H2,1-3H3,(H,12,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 43703305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).