N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine

C13H24N4 — CID 66025559

IUPACN-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCCCn1ncnc1CC1(CNC(C)C)CC1
InChIInChI=1S/C13H24N4/c1-4-7-17-12(15-10-16-17)8-13(5-6-13)9-14-11(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeySDTGHWVBFYTAQR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.01
Rot. Bonds7

About N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66025559) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66025559
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCCCn1ncnc1CC1(CNC(C)C)CC1
InChIInChI=1S/C13H24N4/c1-4-7-17-12(15-10-16-17)8-13(5-6-13)9-14-11(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeySDTGHWVBFYTAQR-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66025559) is N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine is CCCn1ncnc1CC1(CNC(C)C)CC1.
What is the InChIKey of N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is SDTGHWVBFYTAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-7-17-12(15-10-16-17)8-13(5-6-13)9-14-11(2)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66025559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).