N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C11H16N6 — CID 66150756

IUPACN-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCn1cnnc1Cn1cncc1CNC1CC1
InChIInChI=1S/C11H16N6/c1-16-8-14-15-11(16)6-17-7-12-4-10(17)5-13-9-2-3-9/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeyZZKRXXORGHBLAH-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.31
Rot. Bonds5

About N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66150756) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66150756
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCn1cnnc1Cn1cncc1CNC1CC1
InChIInChI=1S/C11H16N6/c1-16-8-14-15-11(16)6-17-7-12-4-10(17)5-13-9-2-3-9/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeyZZKRXXORGHBLAH-UHFFFAOYSA-N
XLogP0.31
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66147318
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150969
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150168
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66150756) is N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine is Cn1cnnc1Cn1cncc1CNC1CC1.
What is the InChIKey of N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZZKRXXORGHBLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-16-8-14-15-11(16)6-17-7-12-4-10(17)5-13-9-2-3-9/h4,7-9,13H,2-3,5-6H2,1H3.
What are the key properties of N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 232.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66150756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).