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

C10H18N4 — CID 106813197

IUPACN-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1ncnc1CNCC1(C)CCC1
InChIInChI=1S/C10H18N4/c1-10(4-3-5-10)7-11-6-9-12-8-13-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeyWJKFRRCMRZDBST-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.09
Rot. Bonds4

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

N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 106813197) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID106813197
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1ncnc1CNCC1(C)CCC1
InChIInChI=1S/C10H18N4/c1-10(4-3-5-10)7-11-6-9-12-8-13-14(9)2/h8,11H,3-7H2,1-2H3
InChIKeyWJKFRRCMRZDBST-UHFFFAOYSA-N
XLogP1.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 114125403
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822774
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905256
3-cyclopentyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 106010455
3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 104531281
N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 103753099
4-iodo-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 106844460
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025203
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 115455578
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 66025326
N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
CID 63821994
N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
CID 115680392

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine (CID 106813197) is N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is Cn1ncnc1CNCC1(C)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is WJKFRRCMRZDBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(4-3-5-10)7-11-6-9-12-8-13-14(9)2/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine?
N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 106813197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).